Chemical Properties
| Boiling point | 605.711±55.00 °C(Press: 760.00 Torr)(predicted) |
| Density | 1.815±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted) |
| storage temp. | -20°C |
| solubility | DMSO : 50 mg/mL (114.37 mM; Need ultrasonic) |
| form | solid |
| pka | 7.461±0.20(predicted) |
| color | Yellow to orange |
| InChI | 1S/C17H12INO5/c1-24-15-6-9(5-12(18)17(15)23)4-11(8-19)16(22)10-2-3-13(20)14(21)7-10/h2-7,20-21,23H,1H3/b11-4+ |
| InChIKey | HSRMHXWCTRFVHK-NYYWCZLTSA-N |
| SMILES | COc1cc(cc(I)c1O)\C=C(/C#N)C(=O)c2ccc(O)c(O)c2 |
Safety Information
| Safety Statements | 22-24/25 |
| WGK Germany | 3 |
| Storage Class | 11 - Combustible Solids |
